4-[[4-chloranyl-6-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 4-[[4-chloro-6-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-(4-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 4-[[4-chloro-6-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 4-[[[4-chloro-6-[4-(4-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C30H29Cl2N5OS MolecularWeight: 578.55516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Cl)C3=CC(=NC(=N3)SCC4=CC=C(C=C4)C(=O)NCCC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)C3=CC(=NC(=N3)SCC4=CC=C(C=C4)C(=O)NCCC5=CC=CC=C5)Cl

InChI

InChI=1S/C30H29Cl2N5OS/c31-25-10-12-26(13-11-25)36-16-18-37(19-17-36)28-20-27(32)34-30(35-28)39-21-23-6-8-24(9-7-23)29(38)33-15-14-22-4-2-1-3-5-22/h1-13,20H,14-19,21H2,(H,33,38)